scholarly journals 2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid

2012 ◽  
Vol 68 (4) ◽  
pp. o946-o946
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Alkaline Hydrolysis ◽  
Title Compound ◽  
Compound C ◽  
Hydrolysis Of

The title compound, C14H15FO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetate. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. These dimers are connected by weak C—H...O hydrogen bonds.

scholarly journals 2-(Cyclohexa-1,4-dienyl)acetic acid

2006 ◽  
Vol 62 (5) ◽  
pp. o1877-o1878 ◽  
Author(s):  
Bruno Therrien ◽  
Georg Süss-Fink
Keyword(s):  
Acetic Acid ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenylacetic Acid ◽  
Birch Reduction ◽  
Compound C

The title compound, C6H7CH2COOH, is formed by a standard Birch reduction of phenylacetic acid. As expected, a centrosymmetric head-to-tail dimer is observed in the solid state, formed through O—H...O hydrogen bonds.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

scholarly journals The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid

2020 ◽  
Vol 76 (7) ◽  
pp. 1101-1106
Author(s):  
Mustapha Tiouabi ◽  
Raphaël Tabacchi ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Supramolecular Framework ◽  
Phenyl Acetic Acid ◽  
Oh Groups ◽  
Compound C

In the title compound, C14H18O8, (I), the methoxycarbonyl [–C(=O)OCH3] and the acetic acid [–CH2C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, molecules are linked by a pair of O—H...O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C—H...O hydrogen bonds and an offset π–π interaction [intercentroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10\overline{1}) plane. The layers are linked by a third C—H...O hydrogen bond and a C—H...π interaction to form a supramolecular framework.

2-(3-Methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetic acid

2007 ◽  
Vol 63 (11) ◽  
pp. o4378-o4378 ◽  
Author(s):  
Rafal Kruszynski ◽  
Agata Trzesowska ◽  
Magdalena Przybycin ◽  
Kamil Gil ◽  
Maria Dobosz
Keyword(s):  
Hydrogen Bond ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Acid Group ◽  
Interatomic Distances ◽  
Compound C

All interatomic distances in the title compound, C5H7N3O2S, are normal. The 1,2,4-triazoline ring is planar and it is inclined at 78.61 (7)° to the planar acetic acid group. The molecules of the title compound are connected via O—H...N hydrogen bonds into zigzag chains along the [101] direction and by N—H...S hydrogen bonds into a three-dimensional net. In addition, a weak C—H...O hydrogen bond can also be found in the structure.

5-Fluorouracil-1-acetic acid

2006 ◽  
Vol 62 (4) ◽  
pp. o1504-o1506 ◽  
Author(s):  
Jian-Qiang Qu ◽  
Ling Qu ◽  
Xiao-Fei Jia
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Acid Group ◽  
Compound C ◽  
Dimensional Network

In the title compound, C6H5FN2O4, the acetic acid group lies out of the pyrimidine plane. In the crystal structure, molecules are connected by intermolecular N—H...O, O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline

2015 ◽  
Vol 71 (2) ◽  
pp. o107-o107
Author(s):  
Guy Crundwell ◽  
Neil M. Glagovich ◽  
Melissa E. King
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Condensation Reaction ◽  
Unit Cell ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Π Stacking

The title compound, C18H10Cl2N4, synthesized by the condensation reaction between 4,5-dichlorobenzene-1,2-diamine and 1,2-di(pyridin-2-yl)ethane-1,2-dione in boiling acetic acid, has a nearly planar quinoxaline moiety [maximum deviation = 0.070 (1) Å] whose mean plane makes dihedral angles of 40.51 (2) and 39.29 (3)° with the pyridine rings. Within the unit cell, there are no classical hydrogen bonds. Molecules in the structure pack with π–π stacking contacts between the quinoxaline units and nearby pyridine rings with an intercentroid distance of 3.7676 (9) Å.

scholarly journals Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one

2014 ◽  
Vol 70 (10) ◽  
pp. o1083-o1084
Author(s):  
Gerhard Laus ◽  
Volker Kahlenberg ◽  
Herwig Schottenberger
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Sodium Azide ◽  
Title Compound ◽  
Carbonyl Groups ◽  
Compound C ◽  
Hydrolysis Of

The title compound, C9H10N4O, was obtained unintentionally by hydrolysis of 4-amino-1-benzyl-5-methylsulfanyl-1,2,4-triazolium tetrafluoroborate in the presence of sodium azide. In the crystal, alternating layers of polar aminotriazolinone and apolar benzene moieties are observed. N—H...O hydrogen bonds between the amino and carbonyl groups form infinite chains along [010]. These infinite chains are linked by additional C—H...O contacts.

scholarly journals Pyrrolidin-1-ium 2-(naphthalen-1-yl)acetate–2-(naphthalen-1-yl)acetic acid (1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o1113-o1113
Author(s):  
Zhao Hong ◽  
Fu-Jun Yin ◽  
Xing-You Xu ◽  
Li-Jun Han ◽  
Li Ren
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Naphthalene Ring ◽  
Pyrrolidine Ring ◽  
Ring Systems ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C4H10N+·C12H9O2−·C12H10O2, the pyrrolidine ring adopts an envelope conformation and the dihedral angle between the planes of the two naphthalene ring systems is 8.34 (10)°. The crystal structure is stabilized by O—H...O and N—H...O hydrogen bonds.

scholarly journals 2-(2-Chlorophenyl)acetic acid

2012 ◽  
Vol 68 (6) ◽  
pp. o1940-o1940
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
B. Narayana
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Carboxyl Group ◽  
Ring Plane ◽  
Compound C ◽  
Benzene Ring Plane

In the title compound, C8H7ClO2, the carboxyl group forms a dihedral angle of 74.83 (9)° with the benzene ring plane. In the crystal, molecules are linked into inversion dimers by pairs of O—H...O hydrogen bonds. The dimers are linked into layers parallel to the bc plane by weak C—H...O interactions.

S-Methyl 5-methylpyrazine-2-carbothioate

2007 ◽  
Vol 63 (11) ◽  
pp. o4306-o4307
Author(s):  
Emmanuel Aubert ◽  
Victor Mamane ◽  
Yves Fort
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Interplanar Spacing ◽  
Intermolecular Hydrogen Bond ◽  
Methyl Group ◽  
Compound C ◽  
Biological Interest ◽  
Hydrolysis Of ◽  
Synthetic Intermediate

The title compound, C7H8N2OS, can be a key synthetic intermediate for the preparation of various pyrazine compounds of biological interest. It was prepared by the hydrolysis of 2-tris(methylsulfanyl)methyl-5-methylpyrazine using the HgCl2/CaCO3 system. The molecule is quasi-planar; the H atoms of the methyl group linked to the pyrazine ring break the molecular mirror pseudosymmetry. One of these H atoms is involved in an intermolecular hydrogen bond with the carbonyl group of a neighbouring molecule. Two molecules related by an inversion centre interact through C—H...N hydrogen bonds, forming R 2 2(6) dimers. Neighbouring dimers interact through longer C—H...N contacts and form infinite planes parallel to (10\overline{3}). These planes interact together through C—H...O hydrogen bonds and π–π interactions (pyrazine centroids are separated by 3.99 Å and the interplanar spacing is 3.38 Å).

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